MolName : 2-N'-(4,5-dihydro-1H-imidazol-2-yl)ethanediimidamide |
MolecularFormula : C5H10N6 |
Smiles : NC(/C(/N)=N\C1=NCCN1)=N |
InChI : InChI=1S/C5H10N6/c6-3(7)4(8)11-5-9-1-2-10-5/h1-2H2,(H3,6,7)(H3,8,9,10,11) |
InChIK : PVEVWRVPQSMVDF-UHFFFAOYSA-N |
TotalMolweight : 154.176 |
Molweight : 154.176 |
MonoisotopicMass : 154.096694 |
CLogP : -2.9309 |
CLogS : 0.015 |
H Acceptors : 6 |
H Donors : 4 |
TotalSurfaceArea : 122.27 |
Relative PSA : 0.65936 |
PolarSurfaceArea : 112.64 |
Druglikeness : 3.456 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : high |
Irritant : none |
Nasty Functions : |
Shape Index : 0.63636 |
Fragments : 1 |
Non HAtoms : 11 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 1 |
Rings Closures : 1 |
Small Rings : 1 |
Sp3Atoms : 2 |
BasicNitrogens : 1 |
StereoCon : |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |